43NO

Crystal structure of a de novo-designed Binder targeting VEGFA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	HEPS BEAMLINE ID02U1A
Synchrotron site	HEPS
Beamline	ID02U1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-06-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97907
Spacegroup name	P 1 21 1
Unit cell lengths	78.280, 94.280, 88.300
Unit cell angles	90.00, 110.28, 90.00

Refinement procedure

Resolution	43.050 - 2.300
R-factor	0.21689
Rwork	0.215
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.434
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.050	2.370
High resolution limit [Å]	2.300	2.300
Number of reflections	53562	4574
<I/σ(I)>	12.1
Completeness [%]	99.9	99.9
Redundancy	4.7
CC(1/2)	0.998	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.05 M Citric acid, 0.05 M BIS-TRIS propane / pH 5.0, 16% w/v Polyethylene glycol 3,350